smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(NC(=O)C(O)=C(Cc2c([O-])[nH]c(=S)[nH]c2=O)C(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000102977452 555186567 /nfs/dbraw/zinc/18/65/67/555186567.db2.gz FOOGIACKRONMOH-KRWDZBQOSA-N -3 2 548.533 2.301 40 5 KEBBLL